1-amino-4-ethylsulfanylpyridin-2-one

C7H10N2OS — CID 177255744

IUPAC1-amino-4-ethylsulfanylpyridin-2-one
SMILESCCSc1ccn(N)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-2-11-6-3-4-9(8)7(10)5-6/h3-5H,2,8H2,1H3
InChIKeyINTCIBNKDBWKNC-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.67
Rot. Bonds2

About 1-amino-4-ethylsulfanylpyridin-2-one

1-amino-4-ethylsulfanylpyridin-2-one (PubChem CID 177255744) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-amino-4-ethylsulfanylpyridin-2-one.

Molecular Properties

Compound Name1-amino-4-ethylsulfanylpyridin-2-one
PubChem CID177255744
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-amino-4-ethylsulfanylpyridin-2-one
SMILESCCSc1ccn(N)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-2-11-6-3-4-9(8)7(10)5-6/h3-5H,2,8H2,1H3
InChIKeyINTCIBNKDBWKNC-UHFFFAOYSA-N
XLogP0.67
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethylsulfanylpyridin-2-one?
The IUPAC name of 1-amino-4-ethylsulfanylpyridin-2-one (CID 177255744) is 1-amino-4-ethylsulfanylpyridin-2-one.
What is the SMILES notation for 1-amino-4-ethylsulfanylpyridin-2-one?
The canonical SMILES for 1-amino-4-ethylsulfanylpyridin-2-one is CCSc1ccn(N)c(=O)c1.
What is the InChIKey of 1-amino-4-ethylsulfanylpyridin-2-one?
The InChIKey is INTCIBNKDBWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-11-6-3-4-9(8)7(10)5-6/h3-5H,2,8H2,1H3.
What are the key properties of 1-amino-4-ethylsulfanylpyridin-2-one?
1-amino-4-ethylsulfanylpyridin-2-one has a molecular weight of 170.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethylsulfanylpyridin-2-one is sourced from PubChem (CID 177255744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).